[6-(4-ethylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone

C19H24N4O — CID 109126053

IUPAC[6-(4-ethylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCCc1ccc(Nc2ccc(C(=O)N3CCCC(C)C3)nn2)cc1
InChIInChI=1S/C19H24N4O/c1-3-15-6-8-16(9-7-15)20-18-11-10-17(21-22-18)19(24)23-12-4-5-14(2)13-23/h6-11,14H,3-5,12-13H2,1-2H3,(H,20,22)
InChIKeyGNLOIKVEDUWYIR-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.65
Rot. Bonds4

About [6-(4-ethylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone

[6-(4-ethylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109126053) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [6-(4-ethylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-ethylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109126053
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[6-(4-ethylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCCc1ccc(Nc2ccc(C(=O)N3CCCC(C)C3)nn2)cc1
InChIInChI=1S/C19H24N4O/c1-3-15-6-8-16(9-7-15)20-18-11-10-17(21-22-18)19(24)23-12-4-5-14(2)13-23/h6-11,14H,3-5,12-13H2,1-2H3,(H,20,22)
InChIKeyGNLOIKVEDUWYIR-UHFFFAOYSA-N
XLogP3.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(4-ethoxyanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126078
[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 112847398
[6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 62172058
(3-methylpiperidin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone
CID 109111042
[6-(2,6-difluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126136
methyl 2-[[6-(3-methylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109126092
[6-(2-fluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126061
[6-(2-bromoanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126106
[6-(2,5-dichloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126123
[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126067
[6-(4-ethylanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109124170
[6-(4-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112707

Frequently Asked Questions

What is the IUPAC name of [6-(4-ethylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-(4-ethylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone (CID 109126053) is [6-(4-ethylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(4-ethylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(4-ethylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone is CCc1ccc(Nc2ccc(C(=O)N3CCCC(C)C3)nn2)cc1.
What is the InChIKey of [6-(4-ethylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is GNLOIKVEDUWYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-15-6-8-16(9-7-15)20-18-11-10-17(21-22-18)19(24)23-12-4-5-14(2)13-23/h6-11,14H,3-5,12-13H2,1-2H3,(H,20,22).
What are the key properties of [6-(4-ethylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
[6-(4-ethylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 324.43 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109126053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).